2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C21H15FN3O4S3- MolecularWeight: 488.554903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C/4\C(=O)N(C(=S)S4)CCS(=O)(=O)[O-]

InChI

InChI=1S/C21H16FN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/p-1/b18-12+